10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

C18H18N2O2 — CID 3241838

IUPAC10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
SMILESCC12CC(NC(=O)N1Cc1ccccc1)c1ccccc1O2
InChIInChI=1S/C18H18N2O2/c1-18-11-15(14-9-5-6-10-16(14)22-18)19-17(21)20(18)12-13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,19,21)
InChIKeyAJCFKFMOHAFVQG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.45
Rot. Bonds2

About 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (PubChem CID 3241838) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.

Molecular Properties

Compound Name10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
PubChem CID3241838
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
SMILESCC12CC(NC(=O)N1Cc1ccccc1)c1ccccc1O2
InChIInChI=1S/C18H18N2O2/c1-18-11-15(14-9-5-6-10-16(14)22-18)19-17(21)20(18)12-13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,19,21)
InChIKeyAJCFKFMOHAFVQG-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The IUPAC name of 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (CID 3241838) is 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.
What is the SMILES notation for 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The canonical SMILES for 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one is CC12CC(NC(=O)N1Cc1ccccc1)c1ccccc1O2.
What is the InChIKey of 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The InChIKey is AJCFKFMOHAFVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18-11-15(14-9-5-6-10-16(14)22-18)19-17(21)20(18)12-13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,19,21).
What are the key properties of 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one has a molecular weight of 294.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one is sourced from PubChem (CID 3241838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).